杂环化合物好氧生物降解性能与其化学结构相关性的研究

应用有机物结构－活性定量关系方法（QSAR）对杂环化合物的好氧生物降解性能与其化学结构间的关系进行定性、定量分析。阐明了单环杂环化合物以及与苯环稠合形成的双环及三环杂环化合物生物降解性能的规律性，研究了影响其降解性能的主要因素。以分子连接性指数IXV及前线最高占据轨道能E_HOMO为自变量参数，建立了杂环化合物的生物降解速率常数与_IX_{V及EHOMO间的定量关系。}

Study on relativity between aerobic biodegradability and chemical structure of heterocyclic compounds

The quantitative and qualitative analysis were conducted on relativity between aerobic biodegradability and chemical structure of heterocyclic compounds by applying organics quantitative structure activity relativity (QSAR).It shows the regularity on biodegradability of mono heterocyclic compounds,bi heterocyclic compounds and tri heterocyclic compounds condensed with benzene ring,included the main factors to influence biodegradability and quantitative relation between the biodegradation rate costant of heterocyclic compounds K ,and the two important parameters I X V and E HOMO which are the molecule connectivity index I X V and the frontier highest occupied molecular orbital energy E HOMO .